COMPND HMDB0033288 HETATM 1 O1 UNL 1 2.182 0.044 1.960 1.00 0.00 O HETATM 2 C1 UNL 1 2.556 -0.314 0.832 1.00 0.00 C HETATM 3 O2 UNL 1 2.032 0.360 -0.285 1.00 0.00 O HETATM 4 C2 UNL 1 1.128 1.388 -0.086 1.00 0.00 C HETATM 5 C3 UNL 1 1.776 2.747 -0.462 1.00 0.00 C HETATM 6 C4 UNL 1 0.910 3.778 0.165 1.00 0.00 C HETATM 7 C5 UNL 1 1.363 4.993 0.622 1.00 0.00 C HETATM 8 O3 UNL 1 2.693 5.297 0.502 1.00 0.00 O HETATM 9 C6 UNL 1 0.520 5.916 1.197 1.00 0.00 C HETATM 10 C7 UNL 1 -0.811 5.638 1.327 1.00 0.00 C HETATM 11 O4 UNL 1 -1.662 6.588 1.916 1.00 0.00 O HETATM 12 C8 UNL 1 -1.316 4.434 0.886 1.00 0.00 C HETATM 13 C9 UNL 1 -0.446 3.514 0.308 1.00 0.00 C HETATM 14 O5 UNL 1 -1.003 2.318 -0.120 1.00 0.00 O HETATM 15 C10 UNL 1 -0.158 1.358 -0.810 1.00 0.00 C HETATM 16 C11 UNL 1 -0.912 0.127 -0.876 1.00 0.00 C HETATM 17 C12 UNL 1 -0.362 -1.115 -0.719 1.00 0.00 C HETATM 18 C13 UNL 1 -0.879 -2.271 -0.162 1.00 0.00 C HETATM 19 O6 UNL 1 -0.113 -3.203 0.167 1.00 0.00 O HETATM 20 C14 UNL 1 -2.219 -2.547 0.093 1.00 0.00 C HETATM 21 O7 UNL 1 -2.524 -3.639 0.893 1.00 0.00 O HETATM 22 C15 UNL 1 -3.317 -1.831 -0.378 1.00 0.00 C HETATM 23 C16 UNL 1 -4.480 -2.572 -0.250 1.00 0.00 C HETATM 24 O8 UNL 1 -4.373 -3.826 0.290 1.00 0.00 O HETATM 25 C17 UNL 1 -5.660 -2.031 -0.660 1.00 0.00 C HETATM 26 O9 UNL 1 -6.843 -2.717 -0.559 1.00 0.00 O HETATM 27 C18 UNL 1 -5.716 -0.742 -1.207 1.00 0.00 C HETATM 28 O10 UNL 1 -6.943 -0.223 -1.616 1.00 0.00 O HETATM 29 C19 UNL 1 -4.547 -0.024 -1.324 1.00 0.00 C HETATM 30 C20 UNL 1 -3.350 -0.564 -0.911 1.00 0.00 C HETATM 31 C21 UNL 1 -2.285 0.311 -1.110 1.00 0.00 C HETATM 32 C22 UNL 1 3.513 -1.406 0.674 1.00 0.00 C HETATM 33 C23 UNL 1 3.952 -1.833 -0.558 1.00 0.00 C HETATM 34 C24 UNL 1 4.855 -2.862 -0.719 1.00 0.00 C HETATM 35 O11 UNL 1 5.295 -3.289 -1.968 1.00 0.00 O HETATM 36 C25 UNL 1 5.338 -3.489 0.394 1.00 0.00 C HETATM 37 O12 UNL 1 6.258 -4.540 0.256 1.00 0.00 O HETATM 38 C26 UNL 1 4.907 -3.073 1.636 1.00 0.00 C HETATM 39 O13 UNL 1 5.408 -3.722 2.771 1.00 0.00 O HETATM 40 C27 UNL 1 4.004 -2.043 1.790 1.00 0.00 C HETATM 41 H1 UNL 1 0.932 1.516 1.015 1.00 0.00 H HETATM 42 H2 UNL 1 2.815 2.787 -0.135 1.00 0.00 H HETATM 43 H3 UNL 1 1.653 2.866 -1.564 1.00 0.00 H HETATM 44 H4 UNL 1 3.408 4.725 0.109 1.00 0.00 H HETATM 45 H5 UNL 1 0.905 6.845 1.538 1.00 0.00 H HETATM 46 H6 UNL 1 -1.823 6.586 2.915 1.00 0.00 H HETATM 47 H7 UNL 1 -2.383 4.209 0.991 1.00 0.00 H HETATM 48 H8 UNL 1 -0.026 1.822 -1.825 1.00 0.00 H HETATM 49 H9 UNL 1 0.636 -1.217 -1.093 1.00 0.00 H HETATM 50 H10 UNL 1 -1.744 -4.180 1.250 1.00 0.00 H HETATM 51 H11 UNL 1 -5.189 -4.398 0.401 1.00 0.00 H HETATM 52 H12 UNL 1 -6.959 -3.639 -0.192 1.00 0.00 H HETATM 53 H13 UNL 1 -7.776 -0.785 -1.511 1.00 0.00 H HETATM 54 H14 UNL 1 -4.595 0.964 -1.744 1.00 0.00 H HETATM 55 H15 UNL 1 -2.599 1.261 -1.503 1.00 0.00 H HETATM 56 H16 UNL 1 3.592 -1.360 -1.462 1.00 0.00 H HETATM 57 H17 UNL 1 4.985 -2.876 -2.835 1.00 0.00 H HETATM 58 H18 UNL 1 6.565 -4.836 -0.647 1.00 0.00 H HETATM 59 H19 UNL 1 5.120 -3.451 3.701 1.00 0.00 H HETATM 60 H20 UNL 1 3.715 -1.774 2.797 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 32 CONECT 3 4 CONECT 4 5 15 41 CONECT 5 6 42 43 CONECT 6 7 7 13 CONECT 7 8 9 CONECT 8 44 CONECT 9 10 10 45 CONECT 10 11 12 CONECT 11 46 CONECT 12 13 13 47 CONECT 13 14 CONECT 14 15 CONECT 15 16 48 CONECT 16 17 17 31 CONECT 17 18 49 CONECT 18 19 19 20 CONECT 20 21 22 22 CONECT 21 50 CONECT 22 23 30 CONECT 23 24 25 25 CONECT 24 51 CONECT 25 26 27 CONECT 26 52 CONECT 27 28 29 29 CONECT 28 53 CONECT 29 30 54 CONECT 30 31 31 CONECT 31 55 CONECT 32 33 33 40 CONECT 33 34 56 CONECT 34 35 36 36 CONECT 35 57 CONECT 36 37 38 CONECT 37 58 CONECT 38 39 40 40 CONECT 39 59 CONECT 40 60 END